THE 2P-SIGMA(U)-1S-SIGMA(G) ELECTRONIC-SPECTRUM OF D-2(+)

Authors
Citation
Re. Moss, THE 2P-SIGMA(U)-1S-SIGMA(G) ELECTRONIC-SPECTRUM OF D-2(+), Journal of the Chemical Society. Faraday transactions, 89(21), 1993, pp. 3851-3855
Citations number
27
Categorie Soggetti
Chemistry Physical","Physics, Atomic, Molecular & Chemical
ISSN journal
09565000
Volume
89
Issue
21
Year of publication
1993
Pages
3851 - 3855
Database
ISI
SICI code
0956-5000(1993)89:21<3851:T2EOD>2.0.ZU;2-B
Abstract
Non-adiabatic dissociation energies are calculated for the N less-than -or-equal-to 5 vibration-rotation levels of the ground electronic stat e of D2+, together with the seven vibration-rotation levels of the fir st excited electronic state, using a transformed Hamiltonian and an ar tificial-channels scattering method. Coupling of rotational and electr onic angular momenta is included. Relativistic and radiative correctio ns are made to give dissociation energies, that of the 0,0 level of th e ground electronic state agreeing with experiment. In particular, cal culated electronic transition energies are in excellent agreement with the available experimental values. The complete calculated 2psigma(u) -1ssigma(g) vibronic band system of D2+ is reported.